Structure of PDB 3fir Chain B Binding Site BS01

Receptor Information
>3fir Chain B (length=231) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVNLYGPGGPHTALKDIANKYSEKTGVKVNVNFGPQATWFEKAKKDADIL
FGASDQSALAIASDFGKDFNVSKIKPLYFREAIILTQKGNPLKIKGLKDL
ANKKVRIVVPEGAGESNTSGTGVWEDMIGRTQDIKTIQNFRNNIVAFVPN
SGSARKLFAQDQADAWITWIDWSKSNPDIGTAVAIEKDLVVYRTFNVIAK
EGASKETQDFIAYLSSKEAKEIFKKYGWREH
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain3fir Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fir Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		P27 G28 G54 T138 S139 N170 S173
Binding residue
(residue number reindexed from 1)		P7 G8 G34 T118 S119 N150 S153
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0140104 molecular carrier activity
Biological Process
GO:1902358 sulfate transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:3fir, PDBe:3fir, PDBj:3fir
PDBsum3fir
PubMed19236052
UniProtQ0PBL7

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